Geometry & MOs

Info

ID:	280534
PubChem CID:	103849778
Reduced:	FNSO3C13H16 (1)
Stoich.:	ABCD3E13F16 (1)
Weight, g/mol:	209.085207
ΔH_f, kcal/mol:	-135.2
Dipole, Da:	3.68
IP(EA), eV:	-9.8(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-(3-hydroxybutan-2-yloxy)benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)CCOC1=C(C(=CC=C1)F)C#N

DOS

IR

Vibrations